N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

C20H21N5O4 — CID 38025783

IUPACN-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESO=C(CCn1nnc2ccccc2c1=O)NC1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C20H21N5O4/c26-18(7-11-25-20(28)16-3-1-2-4-17(16)22-23-25)21-15-5-9-24(10-6-15)19(27)14-8-12-29-13-14/h1-4,8,12-13,15H,5-7,9-11H2,(H,21,26)
InChIKeyXLIUCHRJFSNMDV-UHFFFAOYSA-N
MW395.42 g/mol
LogP1.20
Rot. Bonds5

About N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (PubChem CID 38025783) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.

Molecular Properties

Compound NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
PubChem CID38025783
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESO=C(CCn1nnc2ccccc2c1=O)NC1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C20H21N5O4/c26-18(7-11-25-20(28)16-3-1-2-4-17(16)22-23-25)21-15-5-9-24(10-6-15)19(27)14-8-12-29-13-14/h1-4,8,12-13,15H,5-7,9-11H2,(H,21,26)
InChIKeyXLIUCHRJFSNMDV-UHFFFAOYSA-N
XLogP1.20
TPSA110.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide
CID 119386440
N-(1-benzylpiperidin-4-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 38548825
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 100839185
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 55945963
N-(2,3-dimethylcyclohexyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 23988000
3-[3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-oxopropyl]-1,2,3-benzotriazin-4-one
CID 46408551
N-(1-ethylpiperidin-4-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 36813609
3-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-1,2,3-benzotriazin-4-one
CID 23793377
2-(2,6-dichlorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
CID 38198477
N-(2-amino-1-cyclopropylethyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 119613467
2-(2-chlorophenyl)sulfanyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
CID 38210187
3-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-1,2,3-benzotriazin-4-one
CID 119488410

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (CID 38025783) is N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.
What is the SMILES notation for N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The canonical SMILES for N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is O=C(CCn1nnc2ccccc2c1=O)NC1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The InChIKey is XLIUCHRJFSNMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c26-18(7-11-25-20(28)16-3-1-2-4-17(16)22-23-25)21-15-5-9-24(10-6-15)19(27)14-8-12-29-13-14/h1-4,8,12-13,15H,5-7,9-11H2,(H,21,26).
What are the key properties of N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide has a molecular weight of 395.42 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is sourced from PubChem (CID 38025783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).